5-bromo-N-ethyl-2-iodobenzamide

C9H9BrINO — CID 47100033

IUPAC5-bromo-N-ethyl-2-iodobenzamide
SMILESCCNC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C9H9BrINO/c1-2-12-9(13)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyKEOBSILORRYJSA-UHFFFAOYSA-N
MW353.99 g/mol
LogP2.80
Rot. Bonds2

About 5-bromo-N-ethyl-2-iodobenzamide

5-bromo-N-ethyl-2-iodobenzamide (PubChem CID 47100033) has the molecular formula C9H9BrINO and a molecular weight of 353.99 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-iodobenzamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-iodobenzamide
PubChem CID47100033
Molecular FormulaC9H9BrINO
Molecular Weight353.99 g/mol
Exact Mass352.89
IUPAC Name5-bromo-N-ethyl-2-iodobenzamide
SMILESCCNC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C9H9BrINO/c1-2-12-9(13)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyKEOBSILORRYJSA-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.99
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-N,2-N-diethylbenzene-1,2-dicarboxamide
CID 119013862
5-bromo-N-(2-ethylbutyl)-2-iodobenzamide
CID 115612616
5-bromo-2-iodo-N-[2-(methylamino)ethyl]benzamide
CID 103806278
5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide
CID 83058588
3-[(5-bromo-2-iodobenzoyl)amino]-N-ethyl-4-methylbenzamide
CID 55782441
2-[[(5-bromo-2-iodobenzoyl)amino]methyl]butanoic acid
CID 65219422
3-[(5-bromo-2-iodobenzoyl)amino]-2-methylpropanoic acid
CID 55105447
5-bromo-2-iodo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 114033241
5-bromo-N-[3-(diethylamino)propyl]-2-iodobenzamide
CID 103600067
N-(2-amino-3-methylbutyl)-5-bromo-2-iodobenzamide
CID 113265778
4-[(5-bromo-2-iodobenzoyl)amino]butanoic acid
CID 43239229
5-bromo-N-ethyl-2-(trifluoromethyl)benzamide
CID 146021308

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-iodobenzamide?
The IUPAC name of 5-bromo-N-ethyl-2-iodobenzamide (CID 47100033) is 5-bromo-N-ethyl-2-iodobenzamide.
What is the SMILES notation for 5-bromo-N-ethyl-2-iodobenzamide?
The canonical SMILES for 5-bromo-N-ethyl-2-iodobenzamide is CCNC(=O)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-N-ethyl-2-iodobenzamide?
The InChIKey is KEOBSILORRYJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrINO/c1-2-12-9(13)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of 5-bromo-N-ethyl-2-iodobenzamide?
5-bromo-N-ethyl-2-iodobenzamide has a molecular weight of 353.99 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-iodobenzamide is sourced from PubChem (CID 47100033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).